Basic information
- CAS
89427-24-7- Standard SMILES
Cc1c(Br)cc2[nH]c(C(F)(F)F)nc2c1[N+](=O)[O-]- InChIKey
YUYRQXBFESASPO-UHFFFAOYSA-N- Molecular formula
- C9H5BrF3N3O2
- Average molar mass
- 324.05 g/mol
- Monoisotopic mass
- 322.95172
Names & identifiers
- Preferred name
- 5-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazole
- IUPAC
- 6-bromo-5-methyl-4-nitro-2-(trifluoromethyl)-1H-benzimidazole
Names & synonyms
89427-24-7DTXSID9010088085-Bromo-6-methyl-7-nitro-2-(trifluoromethyl)-1H-benzimidazoleRefChem:1072738DTXCID9014356396-Bromo-5-methyl-4-nitro-2-(trifluoromethyl)benzimidazoleBENZIMIDAZOLE, 6-BROMO-5-METHYL-4-NITRO-2-(TRIFLUOROMETHYL)-
Database identifiers
- CAS
89427-24-7- PubChem CID
- 55962
- DTXSID
DTXSID901008808
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 349
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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